CID 14000

1061-89-8

Structural Information

Molecular Formula
C26H34N2O5
SMILES
CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C26H34N2O5/c1-5-28(14-12-19-18-27-22-11-7-6-10-21(19)22)13-8-9-15-33-26(29)20-16-23(30-2)25(32-4)24(17-20)31-3/h6-7,10-11,16-18,27H,5,8-9,12-15H2,1-4H3
InChIKey
VMXIQTHYNDPIGK-UHFFFAOYSA-N
Compound name
4-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.24677 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.254046 213.6
[M+Na]+ 477.235988 218.4
[M-H]- 453.239494 219.5
[M+NH4]+ 472.280593 223.4
[M+K]+ 493.209928 215.0
[M+H-H2O]+ 437.244030 203.3
[M+HCOO]- 499.244971 234.4
[M+CH3COO]- 513.260621 237.5
[M+Na-2H]- 475.221436 212.4
[M]+ 454.24622142 223.9
[M]- 454.24731858 223.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.